2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine

C10H22N2O2S — CID 65227874

IUPAC2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)10(7-11)8-12-3-5-15(13,14)6-4-12/h9-10H,3-8,11H2,1-2H3
InChIKeyAHKQZFUFPNNCIJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP-0.05
Rot. Bonds4

About 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine

2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine (PubChem CID 65227874) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
PubChem CID65227874
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-9(2)10(7-11)8-12-3-5-15(13,14)6-4-12/h9-10H,3-8,11H2,1-2H3
InChIKeyAHKQZFUFPNNCIJ-UHFFFAOYSA-N
XLogP-0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]butan-1-amine
CID 65233064
1-amino-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 20604768
3-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]butan-1-amine
CID 65227933
3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropanethioamide
CID 43581490
1-[2-(aminomethyl)-3-methylbutyl]-N,N-dimethylpiperidin-4-amine
CID 65227991
2-[(4-ethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
CID 65233237
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
ethyl 4-[2-(aminomethyl)-3-methylbutyl]piperazine-1-carboxylate
CID 107877808
3-methyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 65233118
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
CID 107443355
1-[2-(aminomethyl)-3-methylbutyl]-1,4-diazepan-5-one
CID 107443415
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-3-methylbutan-1-amine
CID 65233248

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine (CID 65227874) is 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)CN1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is AHKQZFUFPNNCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)10(7-11)8-12-3-5-15(13,14)6-4-12/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine?
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 234.36 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 65227874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).